3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide

C21H24Cl3N3O2 — CID 24589425

IUPAC3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
SMILESO=C(CCN1CCN(CCOc2ccccc2Cl)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C21H24Cl3N3O2/c22-16-4-1-2-7-19(16)29-15-14-27-12-10-26(11-13-27)9-8-20(28)25-21-17(23)5-3-6-18(21)24/h1-7H,8-15H2,(H,25,28)
InChIKeyVMFFJOUSRQGUAY-UHFFFAOYSA-N
MW456.80 g/mol
LogP4.67
Rot. Bonds8

About 3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide

3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 24589425) has the molecular formula C21H24Cl3N3O2 and a molecular weight of 456.80 g/mol. Its IUPAC name is 3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
PubChem CID24589425
Molecular FormulaC21H24Cl3N3O2
Molecular Weight456.80 g/mol
Exact Mass455.09
IUPAC Name3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
SMILESO=C(CCN1CCN(CCOc2ccccc2Cl)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C21H24Cl3N3O2/c22-16-4-1-2-7-19(16)29-15-14-27-12-10-26(11-13-27)9-8-20(28)25-21-17(23)5-3-6-18(21)24/h1-7H,8-15H2,(H,25,28)
InChIKeyVMFFJOUSRQGUAY-UHFFFAOYSA-N
XLogP4.67
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.80
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839360
3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide
CID 65249558
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 35462388
3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 24596426
3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide
CID 24585966
4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide
CID 35962342
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24585994
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide
CID 78833168
N-(2,6-dichlorophenyl)-3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019613
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35803451

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide (CID 24589425) is 3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide is O=C(CCN1CCN(CCOc2ccccc2Cl)CC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is VMFFJOUSRQGUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl3N3O2/c22-16-4-1-2-7-19(16)29-15-14-27-12-10-26(11-13-27)9-8-20(28)25-21-17(23)5-3-6-18(21)24/h1-7H,8-15H2,(H,25,28).
What are the key properties of 3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide?
3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 456.80 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 24589425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).